(Q105170098)

English

2-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[3-ethenyl-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

404.131861588 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₁₁

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canonical SMILES

O=C(O)CC1C(=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C)C(=O)OC

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isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)O

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found in taxon

Mentzelia lindleyi

1 reference

stated in

Iridoid mono- and di-glycosides in Mentzelia

Identifiers

InChI

InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8-,10-,12-,13+,14-,16+,17+/m1/s1

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InChIKey

MQLSOVRLZHTATK-BWRFFXFNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MQLSOVRLZHTATK-BWRFFXFNSA-N

(Q105170098)

2-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid

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